1-iodo-N,N,3-trimethylbut-2-en-2-amine

C7H14IN — CID 89346313

IUPAC1-iodo-N,N,3-trimethylbut-2-en-2-amine
SMILESCC(C)=C(CI)N(C)C
InChIInChI=1S/C7H14IN/c1-6(2)7(5-8)9(3)4/h5H2,1-4H3
InChIKeyMOQNOZIZXSUZCF-UHFFFAOYSA-N
MW239.10 g/mol
LogP2.28
Rot. Bonds2

About 1-iodo-N,N,3-trimethylbut-2-en-2-amine

1-iodo-N,N,3-trimethylbut-2-en-2-amine (PubChem CID 89346313) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is 1-iodo-N,N,3-trimethylbut-2-en-2-amine.

Molecular Properties

Compound Name1-iodo-N,N,3-trimethylbut-2-en-2-amine
PubChem CID89346313
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC Name1-iodo-N,N,3-trimethylbut-2-en-2-amine
SMILESCC(C)=C(CI)N(C)C
InChIInChI=1S/C7H14IN/c1-6(2)7(5-8)9(3)4/h5H2,1-4H3
InChIKeyMOQNOZIZXSUZCF-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-N,N,3-trimethylbut-2-en-2-amine?
The IUPAC name of 1-iodo-N,N,3-trimethylbut-2-en-2-amine (CID 89346313) is 1-iodo-N,N,3-trimethylbut-2-en-2-amine.
What is the SMILES notation for 1-iodo-N,N,3-trimethylbut-2-en-2-amine?
The canonical SMILES for 1-iodo-N,N,3-trimethylbut-2-en-2-amine is CC(C)=C(CI)N(C)C.
What is the InChIKey of 1-iodo-N,N,3-trimethylbut-2-en-2-amine?
The InChIKey is MOQNOZIZXSUZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14IN/c1-6(2)7(5-8)9(3)4/h5H2,1-4H3.
What are the key properties of 1-iodo-N,N,3-trimethylbut-2-en-2-amine?
1-iodo-N,N,3-trimethylbut-2-en-2-amine has a molecular weight of 239.10 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-N,N,3-trimethylbut-2-en-2-amine is sourced from PubChem (CID 89346313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).